EFFECTS OF ATOMIC SHORT-RANGE ORDER ON THE ELECTRONIC AND OPTICAL PROPERTIES OF GAASN, GAINN, AND GAINAS ALLOYS

摘要: Using large ({approx}500{endash}1000atoms) pseudopotential supercell calculations, we have investigated the effects of atomic short-range order (SRO) on electronic and optical properties dilute concentrated GaAsN, GaInN, GaInAs alloys. We find that in alloys clustering like atoms first neighbor fcc shell (e.g., N-N GaAsN alloys) leads to a decrease both band-gap valence-to-conduction dipole transition-matrix element GaInN. On other hand, depend only weakly SRO. The reason nitride are affected strongly by SRO while is much lesser extent former case there band-edge wave-function localizations around specific random property for such localization already evident at (dilute) isolated impurity impurity-pair limits. {copyright} {ital 1998} American Physical Society}